SCHEMBL10145310

SCHEMBL10145310

CNCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 11/20 1.00
CARM1 Q86X55 10/20 1.00
CCR3 P51677 2/20 0.67
PRMT8 Q9NR22 2/20 0.65
PRMT3 O60678 1/20 0.65
PRMT1 Q99873 1/20 0.65
SIGMAR1 Q99720 2/20 0.63
TMEM97 Q5BJF2 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
KCNH2 Q12809 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8966093 0.91 PRMT6 (1.00) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL8966097 0.91 PRMT6 (1.00) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL13745477 0.91 PRMT6 (0.83) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL20467905 0.88 PRMT6 (0.79) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL22844319 0.85 CARM1 (1.00) PRMT6CARM1PRMT8SIGMAR1TMEM97
SCHEMBL19880384 0.84 PRMT6 (0.72) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL22966103 0.84 PRMT6 (0.72) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL27016353 0.84 PRMT6 (0.82) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL18325109 0.84 PRMT6 (0.72) PRMT6CARM1CCR3PRMT8PRMT3
SCHEMBL29448595 0.83 PRMT6 (0.71) PRMT6CARM1CCR3PRMT8PRMT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369247-A1 SUBSTRATE-MIMETIC AKT INHIBITOR UNIVERSITY OF SOUTH FLORIDA (US) 2016-12-22 US disclosed
US-9453049-B2 Substrate-mimetic Akt inhibitor UNIVERSITY OF SOUTH FLORIDA (US) 2016-09-27 US disclosed
US-9453049-B2 Substrate-mimetic Akt inhibitor UNIVERSITY OF SOUTH FLORIDA (US) 2016-09-27 US disclosed
US-20150004698-A1 SUBSTRATE-MIMETIC AKT INHIBITOR YALE UNIVERSITY (US) 2015-01-01 US disclosed
US-20150004698-A1 SUBSTRATE-MIMETIC AKT INHIBITOR YALE UNIVERSITY (US) 2015-01-01 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO disclosed
US-20100009397-A1 SUBSTRATE-MIMETIC AKT INHIBITOR UNIVERSITY OF SOUTH FLORIDA (US) 2010-01-14 US disclosed
US-20100009397-A1 SUBSTRATE-MIMETIC AKT INHIBITOR UNIVERSITY OF SOUTH FLORIDA (US) 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 PRMT6 3352/4885CARM1 3460/4885CCR3 635/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 PRMT6 3611/4885CARM1 3631/4885CCR3 480/4885
US-20160369247-A1 SUBSTRATE-MIMETIC AKT INHIBITOR GSKIP, AKT3, GSK3B PRMT6 540/4885CARM1 2124/4885CCR3 3186/4885
US-20150004698-A1 SUBSTRATE-MIMETIC AKT INHIBITOR GSKIP, AKT3, GSK3B PRMT6 540/4885CARM1 2124/4885CCR3 3186/4885
US-20100009397-A1 SUBSTRATE-MIMETIC AKT INHIBITOR GSKIP, AKT3, GSK3B PRMT6 540/4885CARM1 2124/4885CCR3 3186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.